(Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one

C13H25IO2Si — CID 11233977

IUPAC(Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one
SMILESCC[Si](CC)(CC)O[C@@H](C/C=C(/C)I)C(C)=O
InChIInChI=1S/C13H25IO2Si/c1-6-17(7-2,8-3)16-13(12(5)15)10-9-11(4)14/h9,13H,6-8,10H2,1-5H3/b11-9-/t13-/m0/s1
InChIKeyYRTCGYCCLGNXNA-FUWURINLSA-N
MW368.33 g/mol
LogP4.69
Rot. Bonds8

About (Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one

(Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one (PubChem CID 11233977) has the molecular formula C13H25IO2Si and a molecular weight of 368.33 g/mol. Its IUPAC name is (Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one.

Molecular Properties

Compound Name(Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one
PubChem CID11233977
Molecular FormulaC13H25IO2Si
Molecular Weight368.33 g/mol
Exact Mass368.07
IUPAC Name(Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one
SMILESCC[Si](CC)(CC)O[C@@H](C/C=C(/C)I)C(C)=O
InChIInChI=1S/C13H25IO2Si/c1-6-17(7-2,8-3)16-13(12(5)15)10-9-11(4)14/h9,13H,6-8,10H2,1-5H3/b11-9-/t13-/m0/s1
InChIKeyYRTCGYCCLGNXNA-FUWURINLSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one?
The IUPAC name of (Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one (CID 11233977) is (Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one.
What is the SMILES notation for (Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one?
The canonical SMILES for (Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one is CC[Si](CC)(CC)O[C@@H](C/C=C(/C)I)C(C)=O.
What is the InChIKey of (Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one?
The InChIKey is YRTCGYCCLGNXNA-FUWURINLSA-N. The full InChI is InChI=1S/C13H25IO2Si/c1-6-17(7-2,8-3)16-13(12(5)15)10-9-11(4)14/h9,13H,6-8,10H2,1-5H3/b11-9-/t13-/m0/s1.
What are the key properties of (Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one?
(Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one has a molecular weight of 368.33 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-6-iodo-3-triethylsilyloxyhept-5-en-2-one is sourced from PubChem (CID 11233977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).